Abietic acid

SKU:
00010-25G
  • $97.60

    • Description

    Abietic acid

    technical, ~75% (GC)

    • CAS Number 514-10-3

       

    • Empirical Formula (Hill Notation) C20H30O2

       

    • Molecular Weight 302.45

       

    •  Beilstein/REAXYS Number 2221451

       

    •  EC Number 208-178-3

       

    •  MDL number MFCD03423567

       

    •  eCl@ss 32150233

       

    •  PubChem Substance ID 329746989

       

    •  NACRES NA.22

    Properties

    Related Categories Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules
    Quality Level 100
    grade technical
    assay ~75% (GC)
    optical activity [α]20/D −85±10°, c = 1% in ethanol
    mp 139-142 °C (lit.)
     c ~155 °C
    storage temp. 2-8°C
    SMILES string CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
    InChI 1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
    InChI key RSWGJHLUYNHPMX-ONCXSQPRSA-N
    Gene Information human ... TNF(7124)

    Application

    Abietic acid is used as a precursor in the preparation of petrochemical curing agents.[5][6] It is used in the synthesis of dehydroabietic acid derivatives, that exhibit antitumor, antimycotic, and antiviral activities.[7] It can also be used as a starting material in the total synthesis of (−)-triptolide[8] and (+)-amberketal.[9]

    Other Notes

    Starting material for natural product synthesis[1][2][3]; Epoxidation with MCPBA[4]